Search
Search Results
-
Reversed-phase thin-layer chromatographic and computational evaluation of lipophilicity parameters of α,β-unsaturated acids
The retention behavior of 10 previously synthesized α,β-unsaturated acids that exhibited antimicrobial activity was studied using 12 reversed-phase...
-
Influence of mono- and two-component organic modifiers on determination of lipophilicity of tetradentate Schiff bases
The influences of the application of mono- and two-component organic modifiers on lipophilicity determination of 12 tetradentate Schiff bases by...
-
Multitask machine learning models for predicting lipophilicity (logP) in the SAMPL7 challenge
Accurate prediction of lipophilicity—logP—based on molecular structures is a well-established field. Predictions of logP are often used to drive...
-
In vitro activity, stability, and lipophilicity changes of cisplatin through substitution of different amine ligands
In this study, several cisplatin analogs were designed to investigate the antitumor activity and lipophilicity effects in amine change. The amines of...
-
Evaluation of the lipophilicity of chalcones by RP-TLC and computational methods
Retention behaviour of twenty-one chalcones synthesized in our laboratory was tested in three thin-layer chromatography (RP-TLC) systems...
-
Reversed-phase thin-layer chromatography and ultra-performance liquid chromatography/mass spectrometry to estimate the drug likeness of phosphodiesterase 10A inhibitors with phthalimide core
Lipophilicity is a physicochemical parameter well known as a decisive factor for predicting the successful development of a drug. Thus, a balance...
-
Membrane Transport of Polyfunctional Substrates by Alkyl (N-Alkyl-N,N-dioctylammoniomethyl) Phosphonates
AbstractThe membrane transport properties of phosphorylated betaines with respect to mono- and polyfunctional carboxylic acids were studied. The...
-
LogD7.4 prediction enhanced by transferring knowledge from chromatographic retention time, microscopic pKa and logP
Lipophilicity is a fundamental physical property that significantly affects various aspects of drug behavior, including solubility, permeability,...
-
A self-attention based message passing neural network for predicting molecular lipophilicity and aqueous solubility
Efficient and accurate prediction of molecular properties, such as lipophilicity and solubility, is highly desirable for rational compound design in...
-
A comparison of molecular representations for lipophilicity quantitative structure–property relationships with results from the SAMPL6 logP Prediction Challenge
Effective representation of a molecule is required to develop useful quantitative structure–property relationships (QSPR) for accurate prediction of...
-
Synthesis, physical properties, and computational biological activity of N-{[(3(4)-halophenyl)amino]carbonothioyl}adamantane-1-carboxamides
Thioureas containing halogen- and dihalogen-substituted phenyl fragments were obtained based on adamantan-1-ylcarbonyl isothiocyanate in up to 76–94%...
-
Application of thin-layer chromatography in the assessment of bioactivity properties of isatin derivatives
In the last 20 years, isatin and its derivatives stand out as promising precursors in the synthesis of new pharmacologically active compounds. Since...
-
“2+1B” Tricarbonyl Complexes of Technetium-99m and Rhenium with N,N '-Bidentate Ligands and Methyl 2-(Decylthio)-6-isocyanohexanoate
Abstract“2+1 B ” tricarbonyl complexes of the general formula [M(CO) 3 (N^N)CN(CH 2 ) 4 CH(COOMe)SC 10 H 21 ]-ClO 4 , where M = 99 m Tc or Re, N^N = 2,2'-bipyridine...
-
Effect of the linker nature on the antibacterial activity of structural analogs of octenidine
Four new octenidine analogs with different nature of the linkers between two N -octylpyridin-4-amines fragments were synthesized for the first time....
-
Amino acid tethered benzoxazolone as highly potent inhibitors of O-glycosylation
Novel inhibitors of GlcNAc-Ts have been reported based on benzoxazolone appended amino acids/esters which showed a competitive inhibition of the...
-
Phytovid19: a compilation of phytochemicals research in coronavirus
The COVID-19 pandemic has immensely impacted global health causing colossal damage. The recent outbreak of severe acute respiratory syndrome...
-
Assessment of lipophilicity of newly synthesized celecoxib analogues using reversed-phase HPLC
BackgroundLipophilicity is a physicochemical property of an essential importance in medicinal chemistry; therefore, fast and reliable measurement of...
-
Selective Oxidation of Alkyl Hydrocarbon with Molecular Oxygen Catalyzed by Surface-Amine-Modified Cobalt-Silicon Mixed Nano Oxides
With a one-step reverse-phase microemulsion method, surface-amine-modified cobalt-silicon mixed oxide (BA-Co-SiO 2 ) was successfully prepared, which...
-
2-Oxabicyclo[2.1.1]hexanes as saturated bioisosteres of the ortho-substituted phenyl ring
The ortho -substituted phenyl ring is a basic structural element in chemistry. It is found in more than three hundred drugs and agrochemicals. During...
-
Structure and Ligand Based Virtual Screening and MPO Topological Analysis of Triazolo Thiadiazepine-fused Coumarin Derivatives as Anti-Parkinson Drug Candidates
Parkinson’s disease (PD) is a debilitating condition that can cause locomotor problems in affected patients, such as tremors and body rigidity. PD...
